Glycoside
GD015905
Name:
Prupersin EFormula:
C26H30O12N2Smiles:
N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1cccnc1.N#CC(O)c1ccccc1Sugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.53 | Num_heavy_atoms: | 40 |
| TPSA: | 221.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
AD05813
Formula: C7H7O2N
Smiles:
COC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 39.19 | NumAromaticRings: | 1 |
